%chk=000227898.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227898

0 1
O 4.643441 -2.055787 -0.815565
O 6.291862 -0.575433 0.036272
O -6.182345 0.160485 0.770422
O -1.687310 2.155171 -0.165228
O -4.965130 -1.468770 -0.224466
C 4.052316 -0.859670 -0.430687
C 2.388277 0.787363 -0.036707
C 5.045480 0.030328 0.081202
C -2.546613 -0.010279 0.392143
C 2.723640 -0.515052 -0.501048
C -3.921729 0.649296 0.443711
C 3.367426 1.658431 0.454385
C 4.730150 1.292967 0.530881
C 0.989650 1.240762 -0.076617
C -1.450142 0.994499 0.100968
C 6.074431 -1.910276 -0.532410
C -0.069252 0.450840 0.156451
C -5.016052 -0.364338 0.264996
C -7.407074 -0.631041 0.649419
C -7.939880 -0.541203 -0.765069
H -2.336966 -0.545233 1.341726
H -2.533852 -0.806455 -0.390757
H 1.970355 -1.190396 -0.898127
H -4.060417 1.217562 1.389757
H -4.008364 1.430670 -0.352342
H 3.082807 2.653858 0.799792
H 5.481329 1.974687 0.920535
H 0.843075 2.307918 -0.306529
H 6.614494 -1.961318 -1.487086
H 6.343950 -2.650128 0.232786
H 0.033027 -0.605829 0.400050
H -8.052123 -0.127650 1.392643
H -7.185496 -1.668721 0.955943
H -7.278883 -1.063966 -1.472916
H -8.016269 0.500692 -1.102076
H -8.934812 -0.993782 -0.849051


%chk=000227898-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227898

0 1
O 4.869496 -2.143171 -0.113137
O 6.477304 -0.362599 -0.241536
O -6.271972 -0.110932 0.880600
O -1.694552 2.077515 0.223061
O -5.077658 -1.238567 -0.777632
C 4.217572 -0.885788 -0.093419
C 2.423102 0.726870 -0.008047
C 5.169999 0.159936 -0.169479
C -2.588101 -0.200526 0.318314
C 2.852378 -0.644044 -0.012494
C -3.947231 0.428560 0.659567
C 3.396428 1.767060 -0.086349
C 4.786605 1.503377 -0.168287
C 1.012526 1.105481 0.075597
C -1.455429 0.828488 0.242668
C 6.321766 -1.845887 -0.209980
C -0.080092 0.279550 0.163713
C -5.111376 -0.405561 0.160391
C -7.527072 -0.795097 0.436738
C -8.195158 -0.016665 -0.700073
H -2.316122 -0.994863 1.040392
H -2.659802 -0.708900 -0.666665
H 2.139390 -1.469795 0.044484
H -4.063194 0.610687 1.741241
H -4.000226 1.428843 0.183487
H 3.053509 2.807507 -0.082745
H 5.523673 2.307377 -0.227647
H 0.792573 2.183684 0.069792
H 6.715636 -2.264773 -1.151422
H 6.832677 -2.237782 0.685684
H 0.019148 -0.813548 0.178677
H -8.147050 -0.812830 1.347351
H -7.274688 -1.823932 0.124804
H -7.560671 -0.020302 -1.602151
H -8.387891 1.028182 -0.401388
H -9.162494 -0.487353 -0.956712


